ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane

C12H13F13OSi — CID 173303854

IUPACethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane
SMILESC=C(C(C)O[SiH2]CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F13OSi/c1-4-27-26-6(3)5(2)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2,4,27H2,1,3H3
InChIKeyVPJQYJMLBMZORD-UHFFFAOYSA-N
MW448.30 g/mol
LogP5.21
Rot. Bonds9

About ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane

ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane (PubChem CID 173303854) has the molecular formula C12H13F13OSi and a molecular weight of 448.30 g/mol. Its IUPAC name is ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane.

Molecular Properties

Compound Nameethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane
PubChem CID173303854
Molecular FormulaC12H13F13OSi
Molecular Weight448.30 g/mol
Exact Mass448.05
IUPAC Nameethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane
SMILESC=C(C(C)O[SiH2]CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H13F13OSi/c1-4-27-26-6(3)5(2)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2,4,27H2,1,3H3
InChIKeyVPJQYJMLBMZORD-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.30
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane?
The IUPAC name of ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane (CID 173303854) is ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane.
What is the SMILES notation for ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane?
The canonical SMILES for ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane is C=C(C(C)O[SiH2]CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane?
The InChIKey is VPJQYJMLBMZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F13OSi/c1-4-27-26-6(3)5(2)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2,4,27H2,1,3H3.
What are the key properties of ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane?
ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane has a molecular weight of 448.30 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-methylidenenonan-2-yl)oxysilane is sourced from PubChem (CID 173303854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).